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	hartrees
Energy at 0K	-171.044469
Energy at 298.15K	-171.051100
HF Energy	-171.044469
Nuclear repulsion energy	82.364806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3830	3670	17.36
2	A	3595	3445	1.12
3	A	3511	3364	0.40
4	A	3127	2997	32.81
5	A	3036	2909	69.91
6	A	1663	1594	19.51
7	A	1488	1426	0.11
8	A	1426	1366	48.75
9	A	1389	1331	2.19
10	A	1376	1318	1.70
11	A	1177	1128	36.40
12	A	1130	1083	26.25
13	A	1051	1007	219.70
14	A	916	877	3.20
15	A	859	823	136.50
16	A	483	463	49.06
17	A	420	402	98.73
18	A	308	295	60.41

Atom	x (Å)	y (Å)	z (Å)
N1	1.225	-0.154	-0.021
C2	-0.033	0.532	0.048
O3	-1.195	-0.263	-0.115
H4	1.256	-0.725	-0.866
H5	1.328	-0.798	0.762
H6	-0.063	1.091	1.000
H7	-0.080	1.263	-0.771
H8	-1.259	-0.841	0.655

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4350	2.4242	1.0198	1.0196	2.0627	2.0678	2.6648
C2	1.4350		1.4165	2.0190	2.0330	1.1050	1.0990	1.9382
O3	2.4242	1.4165		2.6050	2.7239	2.0869	2.0006	0.9651
H4	1.0198	2.0190	2.6050		1.6316	2.9191	2.3973	2.9419
H5	1.0196	2.0330	2.7239	1.6316		2.3586	2.9300	2.5894
H6	2.0627	1.1050	2.0869	2.9191	2.3586		1.7797	2.2984
H7	2.0678	1.0990	2.0006	2.3973	2.9300	1.7797		2.8025
H8	2.6648	1.9382	0.9651	2.9419	2.5894	2.2984	2.8025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.459	N1	C2	H6	107.893
N1	C2	H7	108.653	C2	N1	H4	109.505
C2	N1	H5	110.698	C2	O3	H8	107.433
O3	C2	H6	111.112	O3	C2	H7	104.670
H4	N1	H5	106.269	H6	C2	H7	107.695

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.222
2	C	0.128
3	O	-0.291
4	H	0.089
5	H	0.079
6	H	0.034
7	H	0.054
8	H	0.129

	x	y	z	Total
	0.263	-1.177	1.206	1.705
CHELPG
AIM
ESP

	x	y	z
x	3.496	-0.109	-0.097
y	-0.109	3.384	-0.165
z	-0.097	-0.165	3.358

<r²>	49.137
(<r²>)^1/2	7.010

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)